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For Lars Konermann's Google Scholar profile click here. 2025 | 2024 | 2023 | 2022 | 2021 | 2020 | 2019 | 2018 | 2017 | 2016 | 2015 | 2014 | 2013 | 2012 | 2011 | 2010 | 2009 | 2008 | 2007 | 2006 | 2005 | 2004 | 2003 | 2002 | 2001 | 2000 | 1999 | earlier work
"Umbrella Sampling MD Simulations for Retention Prediction in Peptide Reversed-Phase Liquid Chromatography" P. M. Scrosati, E. H. MacKay-Barr, and L. Konermann Anal. Chem. 97, in press (2025). Online access.
"Uncovering the Pathway of Serine Octamer Magic Number Cluster Formation During Electrospray Ionization: Experiments and Simulations" V. Alinezhad, Y. K. Ng, S. Mehta, and L. Konermann J. Am. Chem. Soc. 146, 26726-26742 (2024). Online access.
"Mechanism of Protein Aggregation Inhibition by Arginine: Blockage of Anionic Side Chains Favors Unproductive Encounter Complexes" Y. K. Ng and L. Konermann J. Am. Chem. Soc. 146, 8394-8406 (2024). Online access.
"MD Simulations of Peptide-Containing Electrospray Droplets: Effects of Parameter Settings on the Predicted Mechanisms of Gas Phase Ion Formation" K. Hanifi, P. M. Scrosati, and L. Konermann J. Phys. Chem. B 128, 5973-5986 (2024). Online access.
"Hydrogen/Deuterium Exchange Mass Spectrometry: Fundamentals, Limitations, and Opportunities" L. Konermann and P. M. Scrosati, Mol. Cell. Proteomics 23, 100853 (2024). Online access.
"On the Chemistry of Aqueous Ammonium Acetate Droplets During Native Electrospray Ionization Mass Spectrometry" L. Konermann, Z. Liu, Y. Haidar, M. J. Willians, and N. A. Bainbridge Anal. Chem. 95, 13957-13966 (2023). Online access.
"Effects of Hydrogen/Deuterium Exchange on Protein Stability in Solution and in the Gas Phase" Y. Haidar and L. Konermann J. Am. Soc. Mass Spectrom. 34, 1447-1458 (2023). Online access.
"Using Density Functional Theory for Testing the Robustness of Mobile-Proton Molecular Dynamics Simulations on Electrosprayed Ions: Structural Implications for Gaseous Proteins" C. C. Moore, V. N. Staroverov, and L. Konermann J. Phys. Chem. B 127, 4061-4071 (2023). Online access.
"Atomistic Details of Peptide Reversed-Phase Liquid Chromatography from Molecular Dynamics Simulations" P. M. Scrosati and L. Konermann Anal. Chem. 95, 3892–3900 (2023). Online access.
"Mechanism of Magic Number NaCl Cluster Formation from Electrosprayed Water Nanodroplets" L. Konermann and Y. Haidar Anal. Chem. 94, 16491-16501 (2022). Online access.
"Structural Dynamics of a Thermally Stressed Monoclonal Antibody Characterized by Temperature-Dependent H/D Exchange Mass Spectrometry" N. N. Tajoddin and L. Konermann Anal. Chem. 94, 15499-15509 (2022). Online access.
"Formation of Gaseous Peptide Ions from Electrospray Droplets: Competition between Ion Evaporation Mechanism (IEM) and Charged Residue Mechanism (CRM)" E. Aliyari and L. Konermann Anal. Chem. 94, 7713–7721 (2022). Online access.
"Grotthuss Molecular Dynamics Simulations for Modeling Proton Hopping in Electrosprayed Water Droplets" L. Konermann and S. Kim J. Chem. Theory Comput.. 18, 3781–3794 (2022). Online access.
"The 33rd International Tandem Mass Spectrometry Workshop, Lake Louise, AB, Canada" L. Konermann, J. I. Amster, J. Smith, P. Verhaert J. Am. Soc. Mass Spectrom. 33, 409-411 (2022). Online access.
"Mechanism of Thermal Protein Aggregation: Experiments and Molecular Dynamics Simulations on the High-Temperature Behavior of Myoglobin" Y. K. Ng, N. N. Tajoddin, P. M. Scrosati, and L. Konermann J. Phys. Chem. B. 125, 13099-13110 (2021). Online access.
"Hydrogen/Deuterium Exchange Measurements May Provide an Incomplete View of Protein Dynamics: A Case Study on Cytochrome c" P. M. Scrosati, V. Yin, L. Konermann Anal. Chem. 93, 14121-14129 (2021). Online access.
"Atomistic Insights into the Formation of Nonspecific Protein Complexes During Electrospray Ionization" E. Aliyari and L. Konermann Anal. Chem. 93, 12748–12757 (2021). Online access.
"Using Covalent Modifications to Distinguish Protein Electrospray Mechanisms: Charged Residue Model (CRM) vs. Chain Ejection Model (CEM)" D. J. D. Pimlott and L. Konermann Int. J. Mass Spectrom. 469, 116678 (2021). Online access.
"Mobile Protons Limit the Stability of Salt Bridges in the Gas Phase: Implications for the Structures of Electrosprayed Protein Ions" L. Konermann, E. Aliyari, and J. H. Lee J. Phys. Chem. B 125, 3803-3814 (2021). Online access.
"Sulfolane-Induced Supercharging of Electrosprayed Salt Clusters: An Experimental / Computational Perspective" L. M. Martin and L. Konermann J. Am. Soc. Mass Spectrom. 32, 486-496 (2021). Online access.
"Interrogating the Quaternary Structure of Noncanonical Hemoglobin Complexes by Electrospray Mass Spectrometry and Collision-Induced Dissociation" A. I. M. Sever, V. Yin, and L. Konermann J. Am. Soc. Mass Spectrom. 32, 270-280 (2021). Online access.
"Probing the Effects of Heterogeneous Oxidative Modifications on the Stability of Cytochrome c in Solution and in the Gas Phase" V. Yin and L. Konermann J. Am. Soc. Mass Spectrom. 32, 73-83 (2021). Online access.
"Nrf2, the major regulator of the cellular oxidative stress response, is partially disordered" N. C. Karunatilleke, C. S. Fast, V. Ngo, A. Brickenden, M. L. Duennwald, L. Konermann , W.-Y. Choy Int. J. Mol. Sci. 22, 7434 (2021). Online access. "Delineating Heme-Mediated versus Direct Protein Oxidation in Peroxidase-Activated Cytochrome c by Top-Down Mass Spectrometry" V. Yin, D. Holzscherer, and L. Konermann Biochemistry 59, 4108-4117 (2020). Online access.
"Formation of Gaseous Proteins via the Ion Evaporation Model (IEM) in Electrospray Mass Spectrometry" E. Aliyari and L. Konermann Anal. Chem. 92, 10807-10814 (2020). Online access. Highlighted in EAB/ECB virtual issue.
"Analysis of Temperature-Dependent H/D Exchange Mass Spectrometry Experiments" N. N. Tajoddin and L. Konermann Anal. Chem. 92, 10058-10067 (2020). Online access.
"Gas Phase Protein Folding Triggered by Proton Stripping Generates Inside-Out Structures: A Molecular Dynamics Simulation Study" A. I. M. Sever and L. Konermann J. Phys. Chem. B 124 3667-3677 (2020). Online access.
"Enhancing Protein Electrospray Charge States by Multivalent Metal Ions: Mechanistic Insights from MD Simulations and Mass Spectrometry Experiments" L. M. Martin and L. Konermann J. Am. Soc. Mass Spectrom. 31, 25-33 (2020). Online access.
Cover feature. Click here for larger version.
"Effects of Electrospray Mechanisms and Structural Relaxation on Polylactide Ion Conformations in the Gas Phase: Insights from Ion Mobility Spectrometry and Molecular Dynamics Simulations" Q. Duez, H. Metwally, S. Hoyas, V. Lemaur, J. Cornil, J. De Winter, L. Konermann, and P. Gerbaux Phys. Chem. Chem. Phys. 22, 4193-4204 (2020). Online access.
"Lysine Carbonylation is a Previously Unrecognized Contributor to Peroxidase Activation of Cytochrome c by Chloramine-T" V. Yin, S. Mian, and L. Konermann Chem. Sci. 10, 2349-2359 (2019). Online access.
"Charging and Supercharging of Proteins for Mass Spectrometry: Recent Insights into the Mechanisms of Electrospray Ionization" L. Konermann, H. Metwally, Q. Duez, and I. Peters Analyst 144, 6157-6171 (2019). Online access.
"Protein Ions Generated by Native Electrospray Ionization: Comparison of Gas Phase, Solution, and Crystal Structures" M. Bakhtiari and L. Konermann J. Phys. Chem. B. 123, 1784-1796 (2019). Online access.
"Mechanism of Electrospray Supercharging for Unfolded Proteins: Solvent-Mediated Stabilization of Protonated Sites During Chain Ejection" I. Peters, H. Metwally, and L. Konermann Anal. Chem. 91, 6943-6952 (2019). Online access.
"Testing the Robustness of Solution Force Fields for MD Simulations on Gaseous Protein Ions" J. H. Lee, K. Pollert, and L. Konermann J. Phys. Chem. B 123, 6705-6715 (2019). Online access.
"A Subset of Calcium-binding S100 Proteins Show Preferential Heterodimerization" D. E. Spratt, K. R. Barber, N. M. Marlatt, V. Ngo, J. A. Macklin, Y. Xiao, L. Konermann, M. L. Duennwald, and G. S. Shaw FEBS J. 286, 1859-1876 (2019). Online access.
"Recommendations for performing, interpreting and reporting hydrogen deuterium exchange mass spectrometry (HDX-MS) experiments" G. R. Masson, J. E. Burke, N. G. Ahn, G. S. Anand, C. H. Borchers, S. Brier, G. M. Bou-Assaf, J. R. Engen, S. W. Englander, J. H. Faber, R. A. Garlish, P. R. Griffin, M. L. Gross, M. Guttman, Y. Hamuro, A. J. R. Heck, D. Houde, R. E. Iacob, T. J. D. Jorgensen, I. A. Kaltashov, J. P. Klinman, L. Konermann, P. Man, L. Mayne, B. D. Pascal, D. Reichmann, M. Skehel, J. Snijder, T. S. Strutzenberg, E. S. Underbakke, C. Wagner, T. E. Wales, B. T. Walters, D. D. Weis, D. J. Wilson, P. L. Wintrode, Z. Zhang, J. Zheng, D. C. Schriemer, K. D. Rand, Nat. Methods 16, 595-602 (2019). Online access.
"Evidence for a Partially Stalled γ Rotor in F1-ATPase from H/D Exchange Experiments and Molecular Dynamics Simulations" A. Murcia Rios, S. Vahidi, S. D. Dunn, and L. Konermann J. Am. Chem. Soc. 140, 14860-14869 (2018). Online access.
"Chain Ejection Model for Electrospray Ionization of Unfolded Proteins: Evidence from Atomistic Simulations and Ion Mobility Spectrometry" H. Metwally, Q. Duez, and L. Konermann Anal. Chem. 90, 10069-10077 (2018). Online access.
"Electrospray Ionization of Polypropylene Glycol: Rayleigh-Charged Droplets, Competing Pathways, and Charge State-Dependent Conformations" Q. Duez, H. Metwally, and L. Konermann Anal. Chem. 90, 9912-9920 (2018). Online access. .
"Crown Ether Effects on the Location of Charge Carriers in Electrospray Droplets: Implications for the Mechanism of Protein Charging and Supercharging" H. Metwally and L. Konermann Anal. Chem. 90, 4126-4134 (2018). Online access.
"How to Run Molecular Dynamics Simulations On Electrospray Droplets and Gas Phase Proteins: Basic Guidelines and Selected Applications" L. Konermann, H. Metwally, R. G. McAllister, V. Popa Methods 144 104-112 (2018). Online access.
"Dimerization Interface of Osteoprotegerin Revealed by Hydrogen-Deuterium Exchange Mass Spectrometry" Y. Xiao, M. Li, R. Larocque, F. Zhang, A. Malhotra, J. Chen, R. J. Linhardt, L. Konermann, and D. Xu J. Biol. Chem. 293 17523–17535 (2018). Online access.
"Synergistic Recruitment of UbcH7~Ub and Phosphorylated Ubl Domain Triggers Parkin Activation" T. E. C. Condos K. M. Dunkerley, E. A. Freeman, K. R. Barber, J. D. Aguirre, V. K. Chaugule, Y. Xiao, L. Konermann, H. Walden, and G. S. Shaw EMBO J. 37 e100014 (2018). Online access.
"Cytochrome c as a Peroxidase: Activation of the Pre-Catalytic Native State by H2O2-Induced Covalent Modifications" V. Yin, G. S. Shaw, and L. Konermann J. Am. Chem. Soc. 139, 15701-15709 (2017). Online access.
"Calcium-Mediated Control of S100 Proteins: Allosteric Communication via an Agitator/Signal Blocking Mechanism" Y. Xiao, G. S. Shaw, and L. Konermann J. Am. Chem. Soc. 139, 11460-11470 (2017). Online access.
"Changes in Enzyme Structural Dynamics Studied by Hydrogen Exchange-Mass Spectrometry: Ligand Binding Effects or Catalytically Relevant Motions?" C. S. Fast, S. Vahidi, and L. Konermann Anal. Chem. 89, 13326-13333 (2017). Online access.
"Molecular Dynamics Simulations on Gas Phase Proteins with Mobile Protons: Inclusion of All-Atom Charge Solvation" L. Konermann J. Phys. Chem. B 121, 8102-8112 (2017). Online access.
"Addressing A Common Misconception: Ammonium Acetate as Neutral pH “Buffer” for Native Electrospray Mass Spectrometry" L. Konermann J. Am. Soc. Mass Spectrom. 28, 1827-1835 (2017). Online access.
"Characterizing the Structure and Oligomerization of Major Royal Jelly Protein 1 (MRJP1) by Mass Spectrometry and Complementary Biophysical Tools" S. C. Mandacaru, L. H. F. do Vale, S. Vahidi, Y. Xiao, O. S. Skinner, C. A. O. Ricart, N. L. Kelleher, M. V. de Sousa, and L. Konermann Biochemistry 56, 1645–1655 (2017). Online access.
"Load-dependent destabilization of the gamma-rotor shaft in FOF1 ATP synthase revealed by H/D-exchange mass spectrometry" S. Vahidi, Y. Bi, S. D. Dunn, and L. Konermann Proc. Natl. Acad. Sci. U.S.A. 113, 2412-2417 (2016). Online access.
"Heavy lessons in protein allostery" L. Konermann Nat. Struct. Mol. Biol. 23, 511-512 (2016). Online access.
"Conformational Characterization of the Intrinsically Disordered Protein Chibby: Interplay Between Structural Elements in Target Recognition" R. C. Killoran, M. A. Sowole, M. A. Halim, L. Konermann, and W.-Y. Choy Protein Sci. 25, 1420-1429 (2016). Online access.
"Evidence for Allosteric Enzyme Regulation via Changes in Conformational Dynamics: An H/D Exchange Investigation of Dihydrodipicolinate Synthase" M. A. Sowole, S. Simpson, Y. V. Skovpen, D. R. J. Palmer, and L. Konermann Biochemistry 55, 5413-5422 (2016). Online access.
"Collision-Induced Dissociation of Electrosprayed NaCl Clusters: Using Molecular Dynamics Simulations to Visualize Reaction Cascades in the Gas Phase" T. D. Schachel, H. Metwally, V. Popa, and L. Konermann J. Am. Soc. Mass Spectrom. 27, 1846-1854 (2016). Online access.
"Effects of Multidentate Metal Interactions on the Structure of Collisionally Activated Proteins: Insights from Ion Mobility Spectrometry and Molecular Dynamics Simulations" C. E. Bartman, H. Metwally, and L. Konermann Anal. Chem. 88, 6905-6913 (2016). Online access.
"Collision-Induced Dissociation of Electrosprayed Protein Complexes: An All-Atom Molecular Dynamics Model with Mobile Protons" V. Popa, D. Trecroce, R. G. McAllister, and L. Konermann J. Phys. Chem. B, 120 5114−5124 (2016). Online access.
"Mechanism of Protein Supercharging by Sulfolane and m-NBA: Molecular Dynamics Simulations of the Electrospray Process" H. Metwally, R. G. McAllister, V. Popa, and L. Konermann Anal. Chem. 88, 5345-5354 (2016). Online access.
"Probing the Time Scale of FPOP (Fast Photochemical Oxidation of Proteins): Radical Reactions Extend Over Tens of Milliseconds" S. Vahidi and L. Konermann J. Am. Soc. Mass Spectrom. 27, 1156-1164 (2016). Online access.
"Protein Structural Studies by Traveling Wave Ion Mobility Spectrometry: A Critical Look at Electrospray Sources and Calibration Issues" Y. Sun, S. Vahidi, M. A. Sowole, and L. Konermann J. Am. Soc. Mass Spectrom. 27, 31-40 (2016). Online access. "Release of Native-Like Gaseous Proteins from Electrospray Droplets via The Charged Residue Mechanism: Insights from Molecular Dynamics Simulations" R. G. McAllister, H. Metwally, Y. Sun, and L. Konermann J. Am. Chem. Soc. 137, 12667-12676 (2015). Online access. See also JACS Spotlight, J. Am. Chem. Soc. 137, 11855 (2015). Supporting Movie Examples: ubiquitin in water, ubiquitin in water with NaCl
"Interactions of Hemoglobin and Myoglobin with their Ligands CN-, CO, and O2 Monitored by Electrospray Mass Spectrometry" M. A. Sowole, S. Vuong, and L. Konermann Anal. Chem. 87, 9538–9545 (2015). Editor's Highlight.
"Challenges in the Interpretation of Protein H/D Exchange Data: A Molecular Dynamics Simulation Perspective" R. G. McAllister and L. Konermann Biochemistry 54, 2683-2692 (2015). Online access.
"Exploring the Mechanism of Salt-Induced Signal Suppression in Protein Electrospray Mass Spectrometry Using Experiments and Molecular Dynamics Simulations", H. Metwally, R. G. McAllister, and L. Konermann Anal. Chem. 87, 2434-2442 (2015). Online access.
"Noncovalent Binding of a Cyclic Peptide Inhibitor to the Peptidyl-Prolyl Isomerase Pin1 Explored by Hydrogen Exchange Mass Spectrometry" M. A. Sowole, B. T. Innes, M. Amunugama, D. W. Litchfield, C. J. Brandl, B. H. Shilton, and L. Konermann Can. J. Chem. 93, 44-50 (2015). Online access.
"Peroxide-Mediated Oxidation and Inhibition of the Peptidyl-Prolyl Isomerase Pin1" B. T. Innes, M. A Sowole, L. Gyenis, M. Dubinsky, L. Konermann, D. W. Litchfield, C. J. Brandl, and B. H. Shilton Biochim. Biophys. Acta 1852, 905-912 (2015). Online access.
"Protein Structural Dynamics at the Gas/Water Interface Examined by Hydrogen Exchange Mass Spectrometry" Y. Xiao and L. Konermann Protein Sci. 24, 1247-1256 (2015). Online access. "Type 1 and Type 2 Scenarios in Hydrogen Exchange Mass Spectrometry Studies on Protein-Ligand Complexes" L. Konermann, A. D. Rodriguez, M. A. Sowole Analyst 139, 6078-6087 (2014). Online access.
"Molecular Dynamics Simulations of the Electrospray Process: Formation of NaCl Clusters via the Charged Residue Mechanism" L. Konermann, R. G. McAllister, H. Metwally J. Phys. Chem. B 118, 12025–12033 (2014). Online access. Supporting Movies: early droplet, late droplet, dry salt cluster
"Effects of Protein-Ligand Interactions on Hydrogen/Deuterium Exchange Kinetics: Canonical and Non-Canonical Scenarios" M. A. Sowole and L. Konermann Anal. Chem. 86, 6715-6722 (2014). Online access.
"ATP-Induced Dimerization of the FOF1 Epsilon Subunit from Bacillus PS3: A Hydrogen Exchange/Mass Spectrometry Study " A. D. Rodriguez, S. D. Dunn, and L. Konermann Biochemistry 53, 4072-4080 (2014). Online access.
"Insights Into the Mechanism of Protein Electrospray Ionization From Salt Adduction Measurements" X. Yue, S. Vahidi, and L. Konermann J. Am. Soc. Mass Spectrom. 25, 1322-1331 (2014). Online access.
"Mass Spectrometry Methods for Studying Structure and Dynamics of Biological Macromolecules" L. Konermann, S. Vahidi, M. A. Sowole Anal. Chem. 86, 213-232 (2014). Online access.
"Cation-Induced Stabilization of Protein Complexes in the Gas Phase: Mechanistic Insights From Hemoglobin Dissociation Studies" J. Liu and L. Konermann J. Am. Soc. Mass Spectrom. 25, 595-603 (2014). Online access.
"Submillisecond Protein Folding Events Monitored by Rapid Mixing and Mass Spectrometry-Based Oxidative Labeling" S. Vahidi, B. B. Stocks, Y. Liaghati-Mobarhan, and L. Konermann Anal. Chem. 85, 8618–8625 (2013). Online acess. Cover feature.
"Unraveling The
Mechanism of Electrospray Ionization" L. Konermann, E. Ahadi, A. D.
Rodriguez, and S. Vahidi Anal. Chem. 85, 2-9
(2013). Online access.
Cover feature, 4th most read 2013 Anal. Chem. paper.
"Activation of ClpP Protease by ADEP Antibiotics: Insights from Hydrogen Exchange Mass Spectrometry" M. Sowole, J. Alexopoulos, Y.-Q. Cheng, J. Ortega, and L. Konermann J. Mol. Biol. 425 4508-4519 (2013). Online access.
"Effects of Ammonium Bicarbonate on the Electrospray Mass Spectra of Proteins: Evidence for Bubble-Induced Unfolding" J. B. Hedges, S. Vahidi, X. Yue, and L. Konermann Anal. Chem. 85, 6469-6476 (2013). Online acess. 
"Nanocluster Isotope
Distributions Measured by Electrospray Time-of-Flight Mass Spectrometry" A.N. Comeau, J. Liu,
C. B.
Khadka, J. F. Corrigan, and L. Konermann Anal.
Chem. 85,
1200-1207 (2013). Online access.  "Assembly of
Hemoglobin from Denatured Monomeric Subunits: Heme Ligation Effects and
Off-Pathway Intermediates Studied by Electrospray Mass Spectrometry" J. Liu and L.
Konermann Biochemistry 52,
1717-1724 (2013). "Partially Disordered Proteins Studied by Ion Mobility-Mass Spectrometry: Implications for the Preservation of Solution Phase Structure in the Gas Phase" S. Vahidi, B. B. Stocks, and L.Konermann Anal. Chem. 85 10471-10478 (2013). Online access.
"Comparative Analysis of Oxy-Hemoglobin and Aquomet-Hemoglobin by Hydrogen/Deuterium Exchange Mass Spectrometry" M. A. Sowole and L. Konermann J. Am. Soc. Mass Spectrom. 24, 997-1005 (2013). Online access.
"Mapping pH-Induced
Protein Structural Changes Under Equilibrium Conditions by Pulsed
Oxidative Labeling and Mass Spectrometry" S. Vahidi, B. B. Stocks, Y.
Liaghati-Mobarhan, and L. Konermann Anal.
Chem. 84, 9124–9130
(2012). Online
access.
"Early Hydrophobic
Collapse of a1-Antitrypsin Facilitates Formation of a Metastable State:
Insights from Oxidative Labeling and Mass Spectrometry" B. B. Stocks,
A. Sarkar, P. L. Wintrode, and L. Konermann J. Mol. Biol. 423, 789-799
(2012). Online
access.
"On the Formation of
Highly Charged Gaseous Ions from Unfolded Proteins by Electrospray
Ionization" L. Konermann, A. D. Rodriguez, J. Liu Anal. Chem. 84, 6798–6804 (2012). Online access.
"Structure and
Dynamics of Small Soluble Abeta(1-40) Oligomers Studied by Top-Down
Hydrogen Exchange Mass Spectrometry" J. Pan, J. Han, C.
H. Borchers, and L. Konermann Biochemistry 51, 3694–3703 (2012). Online access.
"Conformational
Dynamics of a Membrane Transport Protein Probed by H/D Exchange and
Covalent Labeling: The Glycerol Facilitator" Y. Pan, H. Piyadasa,
J. D. O'Neil, and L. Konermann J.
Mol. Biol. 416, 400-413 (2012). Online
access. Highlighted in Chemical
and Engineering News 90, 11-15 (2012).
"Modeling the
Behavior of Coarse-Grained Polymer Chains in Charged Water Droplets:
Implications for the Mechanism of Electrospray Ionization" Elias Ahadi
and Lars Konermann J. Phys. Chem. B
116, 104–112
(2012). Online
access.
"Structural
Interrogation of Electrosprayed Peptide Ions by Gas-Phase H/D Exchange
and Electron Capture Dissociation Mass Spectrometry" J. Pan, B. L.
Heath, R. A. Jockusch, and L. Konermann Anal. Chem. 84, 373−378 (2012). Online access.
"Validation of
Membrane Protein Topology Models by Oxidative Labeling and Mass
Spectrometry" Y. Pan, X. Ruan, M. A. Valvano, and L. Konermann J. Am. Soc. Mass Spectrom. 23, 889-898 (2012). Online
access.
"Ejection of Solvated
Ions from Electrosprayed Methanol/Water Nanodroplets Studied by
Molecular Dynamics Simulations" E. Ahadi and L. Konermann J. Am. Chem. Soc. 133, 9354–9363 (2011). Online access.
"Conformer-Specific
Hydrogen Exchange Analysis of Abeta(1-42) Oligomers by Top-Down
Electron Capture Dissociation Mass Spectrometry" J. Pan, J. Han, C.
H. Borchers, and L. Konermann Anal.
Chem., 83, 5386–5393
(2011). Online
Access.
"Kinetic Folding
Mechanism of an Integral Membrane Protein Examined by Pulsed Oxidative
Labeling and Mass Spectrometry" Y. Pan, L. Brown; L. Konermann J. Mol. Biol. 410, 146-158 (2011).
Online
access.
"Temporal Development
of Protein Structure During S100A11 Folding and Dimerization Probed by
Oxidative Labeling and Mass Spectrometry" B. B. Stocks, A. Rezvanpour, G. S. Shaw, and L.
Konermann J. Mol. Biol. 409, 669-679 (2011). Online
access.
"Hydrogen Exchange
Mass Spectrometry for Studying Protein Structure and Dynamics" L.
Konermann, J. Pan, and Y.-H. Liu Chem. Soc. Rev. 40, 1224-1234 (2011). Online
access.
"Hydrogen/Deuterium
Exchange Mass Spectrometry and Optical Spectroscopy as Complementary
Tools for Studying the Structure and Dynamics of a Membrane Protein" Y.
Pan, L. Brown, and L. Konermann Int.
J. Mass Spectrom. 302,
3-11 (2011) [H/D Exchange Special Issue]. Online access.
"An Electrostatic
Charge Partitioning Model for the Dissociation of Protein Complexes in
the Gas Phase" S. V. Sciuto, J. Liu, and L. Konermann, J. Am. Soc. Mass Spectrom. 22 1679-1689
(2011). Online
access. "Surface Charge of Electrosprayed Water Nanodroplets: A Molecular Dynamics Study" E. Ahadi and L. Konermann J. Am. Chem. Soc. 132, 11270-11277 (2010). Online access.  "Site-Directed
Mutagenesis Combined with Oxidative Methionine Labeling for Probing
Structural Transitions of a Membrane Protein by Mass Spectrometry" Y.
Pan, L. Brown, and L. Konermann J.
Am. Soc. Mass Spectrom. 21,
1947-1956 (2010). Online
access.
 "Calcium-Induced Structural Transitions of the Calmodulin-Melittin System Studied by Electrospray Mass Spectrometry: Conformational Sub-Populations and Metal-Unsaturated Intermediates" J. Pan and L. Konermann Biochemistry 49, 3477–3486 (2010). Online access.   "Laminar Flow Effects During Laser-Induced Oxidative Labeling For Protein Structural Studies by Mass Spectrometry" L. Konermann, B. B. Stocks, T. Czarny Anal. Chem. 82, 6667–6674 (2010). Online access.
"Mass Spectrometry Combined with Oxidative Labeling for Exploring Protein Structure and Folding" L. Konermann, B. B. Stocks, Y. Pan, and X. Tong Mass Spectrom. Rev. 29 651-667 (2010). Online access.
"Time-Dependent
Changes in Side Chain Solvent Accessibility During Cytochrome c Folding
Probed By Pulsed Oxidative Labeling and Mass Spectrometry" B. B. Stocks
and L. Konermann J. Mol. Biol. 398, 362-373
(2010). Online
access. "Hydrogen/Deuterium
Exchange Mass Spectrometry with Top-Down Electron Capture Dissociation
for Characterizing Structural Transitions of a 17 kDa Protein" J. Pan, J. Han, C.
H. Borchers, and L. Konermann J. Am.
Chem. Soc. 131,
12801–12808 (2009). Online access. 
"Phosphorylation-Induced
Activation of the Response Regulator VraR from Staphylococcus aureus:
Insights from Hydrogen Exchange Mass Spectrometry" Y.-H. Liu, A.
Belcheva, L. Konermann*, and D. Golemi-Kotra* J. Mol. Biol. 391, 149-163 (2009). Online access. Cover feature. Click on
image for larger version.  "Irreversible Thermal Denaturation of Cytochrome c Studied by Electrospray Mass Spectrometry" J. Liu and L. Konermann J. Am. Soc. Mass Spectrom. 20, 819-828 (2009). Online access.  "Formation of Monomeric S100B and S100A11 Proteins at Low Ionic Strength" N. Marlatt, B. L. Boys, L. Konermann, and G. S. Shaw Biochemistry, 48 1954–1963 (2009). Online access.  "A Simple Model for the Disintegration of Highly Charged Solvent Droplets during Electrospray Ionization" L. Konermann J. Am. Soc. Mass Spectrom. 20, 496-506 (2009). Online access. 
"Structural Characterization of Short-Lived Protein Unfolding Intermediates by Laser-Induced Oxidative Labeling and Mass Spectrometry" B. B. Stocks and L. Konermann Anal. Chem. 81, 20-27 (2009). Online access.
"Mapping the Structure of an Integral Membrane Protein under Semi-Denaturing Conditions by Laser-Induced Oxidative Labeling and Mass Spectrometry" Y. Pan, L. Brown, and L. Konermann J. Mol. Biol. 394, 968-981 (2009). Online access.
"Solution-Phase Chelators for Suppressing Nonspecific Protein-Metal Interactions in Electrospray Mass Spectrometry" J. Pan, K. Xu, X. Yang, W.-Y. Choy, and L. Konermann Anal. Chem. 81, 5008-5015 (2009). Online access.
"Protein Oxidative Modifications During Electrospray Ionization: Solution Phase Electrochemistry or Corona Discharge-Induced Radical Attack?" B. L. Boys, M. C. Kuprowski, J. J. Noël, and L. Konermann Anal. Chem. 81, 4027-4034 (2009). Online access.
"Molecular Dynamics Simulations of Electrosprayed Water Nanodroplets: Internal Potential Gradients, Location of Excess Charge Centers, and 'Hopping' Protons" E. Ahadi and L. Konermann J. Phys. Chem. B 113, 7071-7080 (2009). Online access.
"Protein Folding and Protein-Ligand Interactions Monitored by Electrospray Mass Spectrometry“ P. L. Ferguson, M. C. Kuprowski, B. L. Boys, D. J. Wilson, J. Pan, and L. Konermann, Curr. Anal. Chem. 5, 186-204 (2009). Online access.
"Biochemical
Reaction Kinetics Studied by Time-Resolved Electrospray
Ionization Mass Spectrometry" L. Konermann, J. Pan, and D. J. Wilson,
in Mass Spectrometry
Analysis of Proteins, Editor: J.
Whitelegge. Series: Comprehensive Analytical Chemistry, Vol. 52;
Elsevier, Amsterdam, The Netherlands, Chapter 5, 103-126 (2009). More
information. "Electron Capture Dissociation of Electrosprayed Protein Ions for Spatially-Resolved Hydrogen Exchange Measurements" J. Pan, J. Han, C. H. Borchers, and L. Konermann J. Am. Chem. Soc. 130, 11574-11575 (2008). Online access.
"Protein structure and dynamics studied by mass spectrometry: H/D exchange, hydroxyl radical labeling, and related approaches" L. Konermann, X. Tong, and Y. Pan J. Mass Spectrom. 43, 1021-1036 (2008). Cover feature. Click on image for larger version. Online access.
"Conformational Dynamics of Free and Catalytically Active Thermolysin Are Indistinguishable by H/D Exchange Mass Spectrometry" Y.-H. Liu and L. Konermann, Biochemistry 47, 6342-6351 (2008). Online access.
"Non-Uniform Isotope Patterns Produced by Collision-Induced Dissociation of Homogeneously Labeled Ubiquitin: Implications for Spatially-Resolved H/D Exchange ESI-MS Studies“ P. L. Ferguson and L. Konermann, Anal. Chem. 80, 4078-4086 (2008). Online access.
"Gamma-Ray-Mediated Oxidative Labeling for Detecting Protein Conformational Changes by Electrospray Mass Spectrometry" X. Tong, J. C. Wren, and L. Konermann, Anal. Chem. 80, 2222-2231 (2008). Online access.
"Mass Spectrometry-Based Methods for Studying Kinetics and Dynamics in Biological Systems" L. Konermann, J. Messinger, and W. Hillier, Biophysical Techniques in Photosynthesis, Vol. 2 (T.J. Aartsma and J. Matysik, eds.) Series: Advances in Photosynthesis and Respiration. Springer, Dordrecht, 167-190 (2008). More information.
"Time-Resolved
Electrospray Mass Spectrometry" L. Konermann,
D. J. Wilson, and D. A. Simmons, Protein Structures:
Methods in Protein Structure and Stability Analysis, Editors: V. N. Uversky
and E. A. Permyakov, Nova Science
Publishers, Inc., New York. Chapter 2.1, 95-119 (2008). More
information. "Diversity of Penicillin-Binding Proteins: Resistance Factor FmtA of Staphylococcus Aureus" X. Fan, Y.-H. Liu, D. Smith, L. Konermann, K.W. M. Siu and D. Golemi-Kotra J. Biol. Chem. More information.
"Time-Resolved
Electrospray Mass Spectrometry" L. Konermann,
D. J. Wilson, and D. A. Simmons, Protein Structures:
Methods in Protein Structure and Stability Analysis, Editors: V. N. Uversky
and E. A. Permyakov, Nova Science
Publishers, Inc., New York. Chapter 2.1, 95-119 (2008). More
information. "Diversity of Penicillin-Binding Proteins: Resistance Factor FmtA of Staphylococcus Aureus" X. Fan, Y.-H. Liu, D. Smith, L. Konermann, K.W. M. Siu and D. Golemi-Kotra J. Biol. Chem. 282, 35143-35152 (2007). Online access.
"Effects of Zinc
Binding on the Structure and Dynamics of the Intrinsically Disordered
Protein Prothymosin: Evidence for
Metalation as an Entropic Switch" S. Yi, B. L. Boys, A. Brickenden, L.
Konermann, and W.-Y. Choy Biochemistry
46 13120-13130
(2007). Online
access.
"Symmetric Behavior
of Hemoglobin α and β Subunits During
Acid-Induced Denaturation Observed by Electrospray Mass Spectrometry"
B. L. Boys, M. C. Kuprowski, and L. Konermann Biochemistry 46, 10675 -10684
(2007). Online
access.
"Effects of Protein Concentration on the Extent of Gamma-Ray-Mediated Oxidative Labeling Studied by Electrospray Mass Spectrometry" X. Tong, J. C. Wren, and L. Konermann, Anal. Chem. 79, 6376-6382 (2007). Online access.
"Analysis of Protein Mixtures by Electrospray Mass Spectrometry: Effects of Conformation and Desolvation Behavior on the Signal Intensities of Hemoglobin Subunits" M. C. Kuprowski, B. L. Boys, and L. Konermann, J. Am. Soc. Mass Spectrom.18, 1279-1285 (2007). Online access.
"Signal Response of Co-Existing Protein Conformers in Electrospray Mass Spectrometry" M. C. Kuprowski and L. Konermann, Anal. Chem. 79, 2499-2506 (2007). Online access.
"A Temperature-Jump Stopped-Flow System for Monitoring Chemical Kinetics Triggered by Rapid Cooling" B. L. Boys and L. Konermann, Talanta 71 1276-1281 (2007). Online access.
"Folding and
Assembly of Hemoglobin Monitored by Electrospray Mass Spectrometry
Using an On-line Dialysis System" B. L. Boys and L. Konermann, J. Am. Soc. Mass Spectrom. 18, 8-16
(2007). Cover feature. Click on
image for larger version. Online
access, download
statistics. 
"Hydrogen/Deuterium Scrambling During Quadrupole-Time-of-Flight MS/MS Analysis of a Zinc-Binding Protein Domain" P. L. Ferguson, J. Pan, D. J. Wilson, B. Dempsey, G. Lajoie, B. Shilton, and L. Konermann, Anal. Chem. 79, 153-160 (2007). Online access.
"Time-Resolved ESI-MS"
L. Konermann, J. Pan, D. A. Simmons,
and D. J. Wilson The
Encyclopedia of Mass Spectrometry, Vol. 6 (Editors: M. L. Gross
and R. M. Caprioli), Elsevier, Amsterdam 802-810 (2007). More
information.
"Enzyme conformational dynamics during catalysis and in the 'resting state' monitored by hydrogen/deuterium exchange mass spectrometry" Y.-H. Liu and L. Konermann, FEBS Lett. 580 5137-5142 (2006). Online access.
"Exploring the Relationship Between Funneled Energy Landscapes and Two-State Protein Folding" L. Konermann Proteins: Structure, Function, and Bioinformatics 65, 153-163 (2006). Online access.
"Folding Kinetics of the S100A11 Protein Dimer Studied by Time-Resolved Electrospray Mass Spectrometry and Pulsed Hydrogen/Deuterium Exchange" J. Pan, A. C. Rintala-Dempsey, Y. Li, G. S. Shaw, and L. Konermann Biochemistry 45, 3005-3013 (2006). Featured as April 2006 Hot Article. Online access.  "Pulsed Hydrogen/Deuterium Exchange MS/MS for Studying the Relationship between Noncovalent Protein Complexes in Solution and in the Gas-Phase after Electrospray Ionization" B. M. Hossain and L. Konermann Anal. Chem. 78, 1613-1619 (2006). Online access. "Protein Folding Mechanisms Studied by Time-Resolved Electrospray Mass Spectrometry" L. Konermann, J. Pan, and D. J. Wilson Biotechniques 40, 135-141 (2006). Online access. back to top "Ultrarapid Desalting of Protein Solutions for
Electrospray
Mass Spectrometry in a Microchannel Laminar Flow Device" D. J. Wilson
and L. Konermann Anal.
Chem. 77,
6887-6894 (2005). Online
access. "Mass spectrometry-based approaches to protein-ligand interactions" S. M. Schermann, D. A. Simmons, and L. Konermann Exp. Rev. Proteomics 2, 475-485 (2005). Online access. "Pulsed Hydrogen Exchange and Electrospray Charge-State Distribution as Complementary Probes of Protein Structure in Kinetic Experiments: Implications for Ubiquitin Folding" J. Pan, D. J. Wilson, and L. Konermann Biochemistry 44, 8627-8633 (2005). Online access.  "Do Electrospray Mass Spectra Reflect the Ligand Binding State of Proteins in Solution? " B. M. Hossain, D. A. Simmons, and L. Konermann, Can. J. Chem. (Special Issue: Dedicated to Professor P. Kebarle) 83, 1953-1960 (2005). Online access. 
"The reconstitution of unfolded myoglobin with hemin dicyanide is not accelerated by fly-casting" M. O. Crespin, B. L. Boys and L. Konermann, FEBS Lett. 579, 271-274 (2005). Online access. "Subunit Disassembly and Unfolding Kinetics of Hemoglobin Studied by Time-Resolved Electrospray Mass Spectrometry" D. A. Simmons, D. J. Wilson, G. A. Lajoie, A. Doherty-Kirby, and L. Konermann, Biochemistry 43, 14792-14801 (2004). Online access.
"2003 Fred Beamish Award Lecture - Exploring the Dynamics of Biological Systems by Mass Spectrometry" L. Konermann, Can. J. Chem. 82, 1565-1580 (2004). Cover feature. Click on image for larger version. Online access.
"Effects of Ground Loop Currents on Signal Intensities in Electrospray Mass Spectrometry" R. A. Ochran and L. Konermann, J. Am. Soc. Mass Spectrom. 15, 1748-1754 (2004). Online access. "Determination of Ligand-Protein Dissociation Constants by Electrospray Mass Spectrometry-Based Diffusion Measurements" S. M. Clark and L. Konermann, Anal. Chem. 76, 7077-7083 (2004). Online access. "Mechanistic Studies on Enzymatic Reactions by ESI-MS Using a Capillary Mixer With Adjustable Reaction Chamber Volume for Time-Resolved Measurements" D. J. Wilson and L. Konermann, Anal. Chem. 76, 2537-2543 (2004). Online access. "Screening for Noncovalent Ligand-Receptor Interactions by Electrospray Ionization Mass Spectrometry-Based Diffusion Measurements" S. M. Clark and L. Konermann, Anal. Chem. 76, 1257-1263 (2004). Online access. "A Capillary Mixer With Adjustable Reaction Chamber Volume for Millisecond Time-Resolved Studies by Electrospray Mass Spectrometry" D. J. Wilson and L. Konermann, Anal. Chem. 75, 6408-6414 (2003). Online access. "Conformational Dynamics of Partially Denatured Myoglobin Studied by Time-Resolved Electrospray Mass Spectrometry With Online Hydrogen-Deuterium Exchange" D. A. Simmons, S. D. Dunn and L. Konermann Biochemistry 42, 5896-5905 (2003). Online access. See also Biochemistry 42, 9248 (2003). "Protein Folding Kinetics and Mechanisms Studied by Pulse-Labeling and Mass Spectrometry " L. Konermann and D. A. Simmons Mass Spectrom. Rev. 22, 1-26 (2003). Online access. "Implementation of a Multifunctional Logic Gate Based on Folding/Unfolding Transitions of a Protein" A. S. Deonarine, S. M. Clark and L. Konermann Future Generation Computer Systems 19, 87-97 (2003). Online access. "Diffusion Measurements by Electrospray Mass Spectrometry for Studying Solution-Phase Noncovalent Interactions" S. M. Clark and L. Konermann J. Am. Soc. Mass Spectrom. 14, 430-441 (2003). Online access. Konermann, Lars (January 2003 ) "Protein Unfolding and Denaturants". In: Nature Encyclopedia of Life Sciences. London: Nature Publishing Group. Online access. "Method and Apparatus for the Detection of Noncovalent Interactions by Mass Spectrometry-Based Diffusion Measurements" L. Konermann and S. M. Clark US Patent Application and PCT Application, filed May 30, 2003. "Characterization of Transient Protein Folding Intermediates During Myoglobin Reconstitution by Time-Resolved Electrospray Mass Spectrometry with On-Line Isotopic Pulse Labeling" D. A. Simmons and L. Konermann Biochemistry 41, 1906-1914 (2002). Online access. "Taylor Dispersion Monitored by Electrospray Mass Spectrometry: A Novel Approach for Studying Diffusion in Solution" S. M. Clark, D. G. Leaist, and L. Konermann Rapid Commun. Mass Spectrom. 16, 1454-1462 (2002). Online access. "Pre-Steady State Kinetics of Enzymatic Reactions Studied by Electrospray Mass Spectrometry with On-Line Rapid-Mixing Techniques" L. Konermann and D. J. Douglas, Meth. Enzymol. 354 (Enzyme Kinetics and Mechanism, Part F), 50-64 (2002). "Electrochemically Induced pH Changes Resulting in Protein Unfolding in the Ion Source of an Electrospray Mass Spectrometer" L. Konermann, E. A. Silva, and O. F. Sogbein, Anal. Chem. 73, 4836-4844 (2001). Online access. "From Small-Molecule Reactions to Protein Folding: Studying Biochemical Kinetics by Stopped-Flow Electrospray Mass Spectrometry" B. M. Kolakowski and L. Konermann Anal. Biochem. 292, 107-114 (2001). Online access. "Stopped-Flow-Electrospray
Ionization Mass Spectrometry : A New Method for Studying Chemical
Reaction Kinetics in Solution" B. M. Kolakowski, D. A. Simmons, and L.
Konermann Rapid Commun. Mass Spectrom. 14, 772-776 (2000). Online
access. "Method and apparatus for determining the rates of reactions in liquids by mass spectrometry " D. J. Douglas, L. Konermann, and B. A. Collings United States Patent 6054709, issued April 25, 2000. "Reconstitution
of Acid-Denatured Holo-Myoglobin Studied by Time-Resolved Electrospray
Ionization Mass Spectrometry", V. W. S. Lee, Y.-L. Chen, and L.
Konermann Anal. Chem. 71, 4154-4159 (1999). Online
access. "Protein Folding Studied by Electrospray Ionization Mass Spectrometry", L. Konermann, Science Progress 81, 123-140 (1998). "Unfolding
of Proteins Monitored by Electrospray Ionization Mass Spectrometry: A
Comparison of Positive and Negative Ion Modes", L. Konermann and D. J.
Douglas, J. Am. Soc. Mass Spectrom. 9, 1248-1254 (1998). "Stability of a Highly Charged Noncovalent Complex in the Gas Phase: Holomyoglobin", Y.-L. Chen, J. M. Campbell, B. A. Collings, L. Konermann, and D. J. Douglas, Rapid Commun. Mass Spectrom. 12, 1003-1010 (1998). "Acid-Induced
Unfolding of Cytochrome c at Different Methanol Concentrations:
Electrospray Ionization Mass Spectrometry Specifically Monitors Changes
in the Tertiary Structure", L. Konermann and D. J. Douglas, Biochemistry
36, 12296-12302 (1997). "Cytochrome c Folding Kinetics Studied by Time-Resolved Electrospray Ionization Mass Spectrometry" L. Konermann, B. A. Collings, and D. J. Douglas Biochemistry 36, 5554-5559 (1997). "The Use of a Long-Lifetime Component of Tryptophan to Detect Slow Orientational Fluctuations of Proteins" K. Döring, W. Beck, L. Konermann, and F. Jähnig Biophys. J. 72, 326-334 (1997). "Pigment Assignment in the Absorption Spectrum of the Photosystem II Reaction Center by Site-Selection Fluorescence Spectroscopy" L. Konermann, I. Yruela, and A. R. Holzwarth Biochemistry 36, 7498-7502 (1997). "Primary Processes and Structure of the Photosystem II Reaction Center. 5. Modeling of the Fluorescence Kinetics of the D1-D2-cyt-b559 Complex at 77 K" L. Konermann, G. Gatzen, and A. R. Holzwarth J. Phys. Chem. B 101, 2933-2944 (1997). "Analysis of the Absorption Spectrum of Photosystem II Reaction Centers: Temperature Dependence, Pigment Assignment and Inhomogeneous Broadening" L. Konermann, and A. R. Holzwarth Biochemistry 35, 829-842 (1996). "A Long Lifetime Component in the Tryptophan Fluorescence of Some Proteins" K. Döring, L. Konermann, T. Surrey, and F. Jähnig, Eur. Biophys. J. 23, 423-432 (1995). Home | Lars Konermann | Research | People | Publications | News
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